Compound Information | SONAR Target prediction | Name: | beta-AMYRIN ACETATE | Unique Identifier: | SPE00100552 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 416.341 g/mol | X log p: | 3.337 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C | Class: | triterpene | Source: | latof various species of rubber tree | Reference: | J Chem Soc 1952:2916; Phytocehmistry 9: 1669 (1970) |
Species: |
4932 |
Condition: |
SLT2 |
Replicates: |
2 |
Raw OD Value: r im |
0.8680±0.00360624 |
Normalized OD Score: sc h |
1.0189±0.0036899 |
Z-Score: |
0.6209±0.180998 |
p-Value: |
0.537994 |
Z-Factor: |
-4.86032 |
Fitness Defect: |
0.6199 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 14|H4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.0825±0.01155 | Plate DMSO Control (-): | 0.9227499999999998±0.03706 | Plate Z-Factor: | 0.8196 |
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93119 |
dodec-8-enyl acetate |
94225 |
[(3S,4aS,6aS,6aR,8aR,12aS,14aS,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14, 14a-tetradecahydropicen-3-yl] acetate |
101839 |
octadec-9-enyl acetate |
160760 |
[(3S,6aR,6aR,6bR,8aS,12S,12aR,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13 ,14,14a-tetradecahydro-1H-picen-3-yl] acetate |
182441 |
[(3R,6aR,6aR,6bS,8aS,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,9,10,12,12a,13,14,14a- tetradecahydropicen-3-yl] acetate |
222290 |
[17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H -cyclopenta[a]phenanthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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